Classical molecular dynamics(MD)simulations ae performed to investigate the effects of mechanical strain on the thermal conductivity of single-layer black phosphorus(SLBP)nanoribbons along different directions at room...Classical molecular dynamics(MD)simulations ae performed to investigate the effects of mechanical strain on the thermal conductivity of single-layer black phosphorus(SLBP)nanoribbons along different directions at room temperature.The results show that the tensile strain afects the thermal conductivity of nanoribbons by changing thephonon density of state(DOS)and mean free path(M FP).The thermal conductivity shows a sharp enhancement with the tensile strain applied along the armchai diection,while it increases slowly with the strain applied along the zigzag diection.This phenomenon cm be mainly explained by effects of the phonon DOS and MFP.The increasing strain along the armchai direction weakens DOS and strengthens MFP clearly.However,when it comes to the increasing strain along the zigzag deection'DOS enliances significantly while MFP decreases slightly.The findings explore the relationship between the tensile strain and the thermal conductivity reasonably and can provide a reliable method to estimate the MFP of black phosphorus.展开更多
基金The National Natural Science Foundation of China(No.51575104)
文摘Classical molecular dynamics(MD)simulations ae performed to investigate the effects of mechanical strain on the thermal conductivity of single-layer black phosphorus(SLBP)nanoribbons along different directions at room temperature.The results show that the tensile strain afects the thermal conductivity of nanoribbons by changing thephonon density of state(DOS)and mean free path(M FP).The thermal conductivity shows a sharp enhancement with the tensile strain applied along the armchai diection,while it increases slowly with the strain applied along the zigzag diection.This phenomenon cm be mainly explained by effects of the phonon DOS and MFP.The increasing strain along the armchai direction weakens DOS and strengthens MFP clearly.However,when it comes to the increasing strain along the zigzag deection'DOS enliances significantly while MFP decreases slightly.The findings explore the relationship between the tensile strain and the thermal conductivity reasonably and can provide a reliable method to estimate the MFP of black phosphorus.
